3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide

C17H23F3N4O — CID 86290442

IUPAC3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC(C)Cn1c(NC(=O)CC(C)(C)C)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C17H23F3N4O/c1-10(2)9-24-14-11(6-7-12(22-14)17(18,19)20)21-15(24)23-13(25)8-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,21,23,25)
InChIKeyMNXNCDLCEDQHDX-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.48
Rot. Bonds4

About 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide

3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 86290442) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID86290442
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC Name3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC(C)Cn1c(NC(=O)CC(C)(C)C)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C17H23F3N4O/c1-10(2)9-24-14-11(6-7-12(22-14)17(18,19)20)21-15(24)23-13(25)8-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,21,23,25)
InChIKeyMNXNCDLCEDQHDX-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 86290442) is 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide is CC(C)Cn1c(NC(=O)CC(C)(C)C)nc2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is MNXNCDLCEDQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c1-10(2)9-24-14-11(6-7-12(22-14)17(18,19)20)21-15(24)23-13(25)8-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,21,23,25).
What are the key properties of 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 356.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 86290442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).